Neural network potentials for chemistry: concepts, applications and prospects

Artificial Neural Networks (NN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of potential energy surfaces (PES) and spectroscopic predictions. This perspective provides an overview of the foundations of neu...

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Detalles Bibliográficos
Autores principales: Käser, Silvan, Vazquez-Salazar, Luis Itza, Meuwly, Markus, Töpfer, Kai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9923808/
https://www.ncbi.nlm.nih.gov/pubmed/36798879
http://dx.doi.org/10.1039/d2dd00102k

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9923808/
https://www.ncbi.nlm.nih.gov/pubmed/36798879
http://dx.doi.org/10.1039/d2dd00102k

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